5-Phenyl-1,3-pentadiyne
TL;DR: 5-Phenyl-1,3-pentadiyne (CAS 41268-41-1) is a chemical compound with molecular formula C11H8 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-2,4-diynylbenzene
Also Known As: 5-Phenyl-1,3-pentadiyne, Norcapillene, Benzyldiacetylene, penta-2,4-diynylbenzene, 2,4-pentadiynyl-benzene
| Molecular Formula | C11H8 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.0626 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 41268-41-1 |
|---|---|
| SMILES | C#CC#CCC1=CC=CC=C1 |
| InChIKey | ZZGANZXITREHOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-1,3-pentadiyne (CAS 41268-41-1), with molecular formula C11H8 and molecular weight 140.06 g/mol. IUPAC: penta-2,4-diynylbenzene.
Chemical Property Profile of 5-Phenyl-1,3-pentadiyne
Property Insights of 5-Phenyl-1,3-pentadiyne
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,3-pentadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Phenyl-1,3-pentadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3-pentadiyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Phenyl-1,3-pentadiyne?
The CAS number of 5-Phenyl-1,3-pentadiyne is 41268-41-1.
What is the molecular formula of 5-Phenyl-1,3-pentadiyne?
The molecular formula of 5-Phenyl-1,3-pentadiyne is C11H8.
What is the molecular weight of 5-Phenyl-1,3-pentadiyne?
The molecular weight of 5-Phenyl-1,3-pentadiyne is 140.06 g/mol.
Where can I buy 5-Phenyl-1,3-pentadiyne?
You can request a quote for 5-Phenyl-1,3-pentadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,3-pentadiyne?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3-pentadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.